2-[(1-methylimidazol-2-yl)methylsulfanyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[(1-methylimidazol-2-yl)methylsulfanyl]-5-phenyl-pentanoic acid Openeye Name: 2-[(1-methylimidazol-2-yl)methylsulfanyl]-5-phenyl-pentanoic acid CAS Name: 2-[(1-methyl-2-imidazolyl)methylthio]-5-phenylpentanoic acid IUPAC Name: 2-[(1-methylimidazol-2-yl)methylsulfanyl]-5-phenylpentanoic acid Traditional Name: 2-[(1-methylimidazol-2-yl)methylthio]-5-phenyl-valeric acid Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CSC(CCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1C=CN=C1CSC(CCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C16H20N2O2S/c1-18-11-10-17-15(18)12-21-14(16(19)20)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3,(H,19,20)